5-methyl-2-methylidene-6-phenylhex-5-enoic acid

C14H16O2 — CID 67161387

IUPAC5-methyl-2-methylidene-6-phenylhex-5-enoic acid
SMILESC=C(CCC(C)=Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H16O2/c1-11(8-9-12(2)14(15)16)10-13-6-4-3-5-7-13/h3-7,10H,2,8-9H2,1H3,(H,15,16)
InChIKeyXWWVTYUPINQRFV-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.51
Rot. Bonds5

About 5-methyl-2-methylidene-6-phenylhex-5-enoic acid

5-methyl-2-methylidene-6-phenylhex-5-enoic acid (PubChem CID 67161387) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-methyl-2-methylidene-6-phenylhex-5-enoic acid.

Molecular Properties

Compound Name5-methyl-2-methylidene-6-phenylhex-5-enoic acid
PubChem CID67161387
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name5-methyl-2-methylidene-6-phenylhex-5-enoic acid
SMILESC=C(CCC(C)=Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H16O2/c1-11(8-9-12(2)14(15)16)10-13-6-4-3-5-7-13/h3-7,10H,2,8-9H2,1H3,(H,15,16)
InChIKeyXWWVTYUPINQRFV-UHFFFAOYSA-N
XLogP3.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-methyl-2-methylidene-6-phenylhex-5-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one
CID 10376576
2-methylidenehenicosanoic acid;2-methyl-3-phenylprop-2-enoic acid
CID 70268950
3-methyl-4-phenylbut-3-enamide
CID 23660
5-methyl-6-phenylhex-5-en-3-one
CID 71411119
2-methylidene-4-phenylbutanoic acid;2-methyl-3-(4-methylphenyl)prop-2-enoic acid;2-methyl-3-phenylprop-2-enoic acid
CID 67453171
3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid
CID 175448034
2-methylidenehexanoic acid;2-methylidenepentanedioic acid;styrene
CID 89370738
2-methyl-1-phenyloct-1-en-4-one
CID 71411118
6-bromo-5-methyl-2-methylidenehex-5-enoic acid
CID 87292814
trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane
CID 102166137
ethane;2-methylprop-2-enoic acid;styrene
CID 174478215
[(1Z)-2-methylpenta-1,4-dienyl]benzene
CID 14247244

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylidene-6-phenylhex-5-enoic acid?
The IUPAC name of 5-methyl-2-methylidene-6-phenylhex-5-enoic acid (CID 67161387) is 5-methyl-2-methylidene-6-phenylhex-5-enoic acid.
What is the SMILES notation for 5-methyl-2-methylidene-6-phenylhex-5-enoic acid?
The canonical SMILES for 5-methyl-2-methylidene-6-phenylhex-5-enoic acid is C=C(CCC(C)=Cc1ccccc1)C(=O)O.
What is the InChIKey of 5-methyl-2-methylidene-6-phenylhex-5-enoic acid?
The InChIKey is XWWVTYUPINQRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-11(8-9-12(2)14(15)16)10-13-6-4-3-5-7-13/h3-7,10H,2,8-9H2,1H3,(H,15,16).
What are the key properties of 5-methyl-2-methylidene-6-phenylhex-5-enoic acid?
5-methyl-2-methylidene-6-phenylhex-5-enoic acid has a molecular weight of 216.28 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylidene-6-phenylhex-5-enoic acid is sourced from PubChem (CID 67161387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).